Study Results

Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001741 (2017 - Acinetobacter Baumannii - ACIBS: Acinetobacter baumannii (strain SDF) [509170])
Download : Data.csv | 3D Common Core | 3D Models

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Full name of ligand selected in the comparative docking column:

General color information :

Good

Correct

Query		Structural Alignment (SA)		3D Modeling	Annotation	Ligands from PDB templates			Predicted Complexes - pKd:[ ‹nMol \| ‹μMol \| ‹mMol ]
	Query Sequence Filter:	Significants SA found	Seq Ident.	3D Core (QMean Score)	Classification code	Binding Site	Ligands Found (Procognate)	Profile	Complexes by comparative docking (ligands from PDB templates)	Targets for screening
	Sort by entries	[Nb of SA]	[Best Ident]	[Best Score]	Main Code	[Name]	[Number]	[Number]	Distribution of CDocking pKd	[Number]
50	B0VPM9	64	58%	0.59	PF00291	C3_S1	67 - (55)	16	6 / 9 / 32	8
51	B0VKM9	20	43%	0.62	PF01207	C3_S1	53 - (36)	4	6 / 7 / -	1
52	B0VKC3	33	43%	0.55	PF02826	C2_S1	65 - (43)	16	6 / 5 / 5	4
53	B0VME5	39	49%	0.68	PF07670	C4_S1	62 - (0)	13	5 / 17 / 9	7
54	B0VL30	29	48%	0.52	PF00044	C4_S1	26 - (22)	2	5 / 13 / -	1
55	B0VQC0	54	45%	0.67	PF00271	C4_S1	62 - (0)	15	5 / 11 / 22	6
56	B0VQ52	29	51%	0.56	PF00625	C3_S1	43 - (34)	14	5 / 10 / 7	5
57	B0VQP4	23	50%	0.43	PF01926	C2_S1	69 - (0)	6	5 / 10 / 4	2
58	B0VTQ6	20	46%	0.62	PF01180	C3_S1	82 - (43)	2	5 / 5 / -	1
59	B0VP25	18	56%	0.50	PF01494	C2_S1	58 - (0)	2	5 / - / -	1
60	B0VKW8	36	55%	0.57	PF00929	C1_S1	60 - (52)	3	4 / 26 / 4	1
61	B0VQN1	59	64%	0.58	PF02978	C6_S1	127 - (101)	16	4 / 22 / 17	4
62	B0VTH7	61	99%	0.67	PF01467	C1_S1	157 - (93)	20	4 / 14 / 19	9
63	B0VKJ4	28	65%	0.55	PF07973	C1_S1	31 - (9)	15	4 / 13 / 4	7
64	B0VPZ8	22	71%	0.65	PF01113	C1_S1	48 - (33)	9	4 / 9 / 2	4
65	B0VV83	21	68%	0.64	PF00216	C2_S1	50 - (0)	2	4 / 6 / 1	0
66	B0VNZ8	20	68%	0.61	PF08245	C1_S1	52 - (27)	7	4 / 6 / -	2
67	B0VRW9	15	67%	0.53	PF00587	C1_S1	41 - (30)	6	4 / 3 / 2	2
68	B0VNW6	34	70%	0.57	PF00216	C6_S1	60 - (0)	3	4 / 1 / 9	1
69	B0VLX4	21	63%	0.57	PF02737	C2_S1	38 - (36)	7	4 / 1 / 3	1
70	B0VMB8	16	64%	0.59	PF03900	C3_S1	15 - (0)	4	4 / 1 / 1	2
71	B0VU11	16	43%	0.57	PF01207	C2_S1	44 - (30)	2	4 / 1 / -	1
72	B0VT23	20	42%	0.55	PF01842	C4_S1	34 - (27)	2	4 / 1 / -	1
73	B0VRA4	20	51%	0.47	PF02441	C4_S1	16 - (9)	6	4 / - / 5	3
74	B0VRL9	25	51%	0.58	PF00106	C2_S1	59 - (40)	11	4 / - / 3	0
75	B0VP46	20	35%	0.52	PF00106	C2_S1	76 - (55)	6	4 / - / 2	0
76	B0VSE7	20	43%	0.56	PF02852	C1_S1	95 - (66)	4	4 / - / 1	1
77	B0VPN5	13	64%	0.60	PF00106	C1_S1	103 - (74)	6	4 / - / 1	1
78	B0VQ63	18	48%	0.50	PF01509	C4_S1	28 - (0)	4	4 / - / 1	0
79	B0VU36	15	50%	0.52	PF00890	C3_S1	41 - (31)	4	4 / - / -	2
80	B0VND1	20	57%	0.54	PF01565	C1_S1	32 - (23)	2	4 / - / -	1
81	B0VPD5	20	36%	0.49	PF00106	C1_S1	60 - (41)	4	4 / - / -	0
82	B0VTL6	58	51%	0.55	PF01712	C2_S1	120 - (82)	20	3 / 23 / 29	11
83	B0VU09	43	73%	0.61	PF02978	C5_S1	80 - (0)	14	3 / 16 / 16	5
84	B0VMZ7	51	58%	0.68	PF03167	C7_S1	85 - (0)	20	3 / 12 / 23	11
85	B0VP49	23	35%	?	PF00512	C4_S1	38 - (35)	10	3 / 12 / 1	4
86	B0VKM5	39	49%	0.56	PF05222	C2_S1	42 - (35)	12	3 / 11 / 7	3
87	B0VUU2	33	42%	0.55	PF00196	C2_S1	47 - (0)	5	3 / 8 / 12	2
88	B0VM30	22	63%	0.51	PF02771	C2_S1	49 - (47)	8	3 / 4 / 3	3
89	B0VPZ5	27	43%	0.53	PF00248	C6_S1	175 - (135)	18	3 / 3 / 7	1
90	B0VQU6	20	49%	0.55	PF02771	C2_S1	42 - (37)	5	3 / 3 / -	1
91	B0VV06	23	100%	0.57	PF00275	C3_S1	20 - (14)	7	3 / 2 / 6	3
92	B0VTE6	20	52%	0.47	PF13361	C3_S1	22 - (0)	2	3 / 2 / -	0
93	B0VRH5	20	54%	0.61	PF02737	C2_S1	35 - (35)	4	3 / 1 / -	0
94	B0VTL8	18	61%	0.54	PF02910	C2_S1	58 - (50)	6	3 / - / 5	3
95	B0VMN6	18	55%	0.61	PF00106	C1_S1	67 - (36)	5	3 / - / 4	1
96	B0VN02	19	56%	0.52	PF00216	C7_S1	56 - (0)	2	3 / - / 4	0
97	B0VPY7	22	55%	0.52	PF14815	C4_S1	57 - (0)	6	3 / - / 2	0
98	B0VU07	8	30%	0.48	PF08279	C2_S1	33 - (27)	6	3 / - / 2	1
99	B0VNE9	19	46%	0.54	PF01479	C6_S1	15 - (0)	4	3 / - / 2	0
100	B0VR22	16	51%	0.50	PF05958	C1_S1	24 - (0)	3	3 / - / 1	1

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